Compound Identification
SMILES
CC(C)N(CCCNS(C)(=O)=O)C(=O)C(C)N1CC[C@H](NS(=O)(=O)C2=CC3=C(C=C2)C=C(Cl)C=C3)C1=O.CC(N1CC[C@H](NS(=O)(=O)C2=CC3=C(C=C2)C=C(Cl)C=C3)C1=O)C(=O)N(CCNS(C)(=O)=O)CC1CC1.CC(C)N(CCN=C(N)N(O)N=O)C(=O)C(C[C@](C)(N1CC[C@H](N(CC(N)=O)S(=O)(=O)C2=CC3=C(C=C2)C=C(Cl)C=C3)C1=O)C(=O)N(CCNS(C)(=O)=O)C(C)C)N1CC[C@H](NS(=O)(=O)C2=CC3=C(C=C2)C=C(Cl)C=C3)C1=O
InChIKey
InChIKey=HXRXKARZBQAHFJ-DRXLTYFMSA-N
Formula
C96H126Cl4N20O25S7
Mass
2326.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Naphthalenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Naphthalene sulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
2-naphthalene sulfonic acids and derivatives
Alternative Parents
2-naphthalene sulfonamides Chloronaphthalenes Alanine and derivatives N-nitrosated N-hydroxyguanidines Aryl chlorides Pyrrolidine-2-ones N-acyl amines Organosulfonamides Organic sulfonamides N-alkylpyrrolidines Tertiary carboxylic acid amides Aminosulfonyl compounds Lactams Primary carboxylic acid amides Organic N-nitroso compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Not available
Substituents
2-naphthalene sulfonic acid or derivatives - Naphthalene sulfonamide - 2-naphthalene sulfonamide - Chloronaphthalene - Alanine or derivatives - Alpha-amino acid or derivatives - N-nitrosated n-hydroxyguanidine - 2-pyrrolidone - Aryl chloride - Aryl halide - Organic sulfonic acid amide - Organosulfonic acid amide - Pyrrolidone - N-acyl-amine - N-hydroxyguanidine - N-alkylpyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Aminosulfonyl compound - Pyrrolidine - Organic n-nitroso compound - Guanidine - Lactam - Primary carboxylic acid amide - Carboxamide group - Organic nitroso compound - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-naphthalene sulfonic acids and derivatives. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group (or a derivative thereof) at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors
Not available